(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

C16H16ClNOS — CID 894028

IUPAC(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyUEKWMFXNVDSNQA-GFCCVEGCSA-N
MW305.83 g/mol
LogP4.77
Rot. Bonds4

About (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 894028) has the molecular formula C16H16ClNOS and a molecular weight of 305.83 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID894028
Molecular FormulaC16H16ClNOS
Molecular Weight305.83 g/mol
Exact Mass305.06
IUPAC Name(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNOS/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyUEKWMFXNVDSNQA-GFCCVEGCSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-methylphenyl)sulfanyl-N-(3-methylsulfanylphenyl)propanamide
CID 951511
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827
2,3,4,5-tetrachloro-6-[[4-[1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785408
(2S)-N-(3-chlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7556659
(E)-4-[4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]sulfanylanilino]-2-methyl-4-oxobut-2-enoic acid
CID 124658145
2-(4-chlorophenyl)sulfanyl-N-(3,5-dimethylphenyl)propanamide
CID 11836491
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
2-chloro-5-[2-(4-methylphenyl)sulfanylpropanoylamino]benzoic acid
CID 23772380
N-(5-chloro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 134008118
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
2-(4-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
CID 60638329

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 894028) is (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is Cc1ccc(S[C@H](C)C(=O)Nc2cccc(Cl)c2)cc1.
What is the InChIKey of (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is UEKWMFXNVDSNQA-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16ClNOS/c1-11-6-8-15(9-7-11)20-12(2)16(19)18-14-5-3-4-13(17)10-14/h3-10,12H,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 305.83 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-chlorophenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 894028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).